SCHEMBL30683031

SCHEMBL30683031

COCCOc1cc(Br)cnc1CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.41
BRD4 O60885 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.36
KDM4A O75164 1/20 0.36
RECQL P46063 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
SYK P43405 1/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20669674 0.88 AAK1 (0.44) AAK1L3MBTL1KDM4AMAPKAPK2KDM4E
SCHEMBL30683066 0.87 AAK1 (0.39) AAK1L3MBTL1NAMPTKDM4AMAPKAPK2
SCHEMBL26932161 0.84 KDM4E (0.39) RECQLKDM4ELMNA
SCHEMBL30683085 0.83 BRD4 (0.38) AAK1BRD4L3MBTL1NAMPTKDM4A
SCHEMBL30683043 0.81 BRD4 (0.37) BRD4L3MBTL1NAMPTKDM4AMAPKAPK2
SCHEMBL29918736 0.80 AAK1 (0.51) AAK1BRD4L3MBTL1NAMPTKDM4A
SCHEMBL16814130 0.80 AAK1 (0.51) AAK1BRD4L3MBTL1NAMPTKDM4A
SCHEMBL16809853 0.79 AAK1 (0.45) AAK1L3MBTL1NAMPTKDM4AMAPKAPK2
SCHEMBL2943289 0.79 AAK1 (0.45) AAK1L3MBTL1NAMPTKDM4AMAPKAPK2
SCHEMBL30162902 0.79 AAK1 (0.45) AAK1L3MBTL1NAMPTKDM4AMAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed